2-Mercaptobenzaldehyde supplier

Name
2-Mercaptobenzaldehyde
EINECS
CAS No. 29199-11-9
Article Data40
CAS DataBase
Density 1 +-.0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C7H6 O S
Boiling Point 248.5±23.0 °C(Predicted)
Molecular Weight 138.19
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde,o-mercapto- (7CI,8CI);2-Formylthiophenol;2-Mercaptobenzaldehyde;2-Sulfanylbenzaldehyde;2-Thiosalicylaldehyde;Thiosalicylaldehyde;
PSA 55.87000
LogP 1.78780

Synthetic route

: 55164-16-4
2,2'-dithiodibenzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With tris-(2-carboxyethyl)-phosphine hydrochloride In dimethyl sulfoxide	100%
With triphenylphosphine In methanol; water; N,N-dimethyl-formamide 1.) room temp., 30 min; 2.) ice-water bath, 30 min;	80%
With water; triphenylphosphine In methanol; N,N-dimethyl-formamide at 20℃; for 0.5h;	80%

: 4521-31-7
o-hydroxymethyl thiophenol

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With dihydrogen peroxide In neat (no solvent) at 80℃; for 4h; Green chemistry;	100%
Multi-step reaction with 2 steps 1: 54 percent / pyridinium chlorochromate / CH2Cl2 / 4 h / 20 °C 2: 80 percent / triphenylphosphine; water / methanol; dimethylformamide / 0.5 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: 54 percent / PCC / CH2Cl2 / 4 h / Ambient temperature 2: 80 percent / Ph3P / dimethylformamide; H2O; methanol / 1.) room temp., 30 min; 2.) ice-water bath, 30 min View Scheme

: 34824-58-3
2-(2-bromophenyl)-1,3-dioxolan

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Stage #1: 2-(2-bromophenyl)-1,3-dioxolan With magnesium In tetrahydrofuran at 0℃; for 1h; Reflux; Stage #2: With sulfur In tetrahydrofuran at 20℃; Stage #3: With hydrogenchloride; water In tetrahydrofuran; water for 2h; Reflux;	91%

: 108-98-5
thiophenol

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine Stage #2: N,N-dimethyl-formamide	83%
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane Stage #2: N,N-dimethyl-formamide In hexane	66%
Stage #1: thiophenol With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane at 0 - 20℃; for 16h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In hexane at 0 - 20℃; for 20h; Inert atmosphere;	48%

: 119011-44-8
o-Thioacetoxybenzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With titanium tetrachloride; zinc In dichloromethane at 25℃; for 0.166667h;	82%

: 85733-65-9
o-rhodano-benzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With sodium hydroxide for 0.0833333h;	70%
With sodium sulfide; water das Natriumsalz entsteht;

: 1060749-49-6
2-hydroxy-5-phenylcyclohex-1-enecarbaldehyde

: mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(III)

A: 210900-83-7
mer-hydrido(1-carbonyl-2-oxo-5-phenylyclohexenediyl)tris(trimethylphosphine)cobalt(III)

B: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
In diethyl ether at -80 - 20℃; for 14h; Mechanism; Inert atmosphere; Schlenk technique;	A 69% B n/a

...Expand

: 623-51-8
ethyl 2-sulfanylacetate

: 6630-33-7
ortho-bromobenzaldehyde

A: 17890-55-0
ethyl benzo[b]thiophene-2-carboxylate

B: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With potassium tert-butylate In ammonia for 180h; Irradiation;	A 55% B 10%
With potassium tert-butylate 1.) NH3, irradiation, 180 min,; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 55164-16-4
2,2'-dithiodibenzaldehyde

: 78-94-4
methyl vinyl ketone

A: 29199-11-9
2-formylthiophenol

B: 3-acetyl-4-hydroxythiochroman

C: 3-acetyl-2H-1-benzothiopyran

Conditions

Conditions	Yield
With triphenylphosphine In chloroform at 20℃; for 96h;	A 9% B 52% C 33.5%

...Expand

: 24852-71-9
2-[(phenylmethyl)thio]benzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Stage #1: 2-[(phenylmethyl)thio]benzaldehyde With aluminum (III) chloride In benzene at 20℃; for 48.5h; Inert atmosphere; Stage #2: With water In benzene Cooling with ice;	24%

: O-(2-formylphenyl) N,N-dimethylcarbamothioate

A: 29199-11-9
2-formylthiophenol

B: 153511-19-4
S-(2-formylphenyl) N,N-dimethylthiocarbamate

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 230℃; for 15h; Miyazaki-Newman-Kwart rearrangement; Microwave irradiation;	A 10% B n/a

: 49848-22-8
2-mercapto-N-methyl-N-phenylbenzamide

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride

: 2591-86-8
N-Formylpiperidine

: 108-98-5
thiophenol

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine 1.) hexane, a) 0 deg C, 0.5 h, b) RT, 17 h, 2.) hexane, 25 deg C, 18 h; Yield given; Multistep reaction;

: 147-93-3
Thiosalicylic acid

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 96 percent / LiAlH4 / tetrahydrofuran / 20 °C 2: 54 percent / pyridinium chlorochromate / CH2Cl2 / 4 h / 20 °C 3: 80 percent / triphenylphosphine; water / methanol; dimethylformamide / 0.5 h / 20 °C View Scheme
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Reflux;
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 24 h / 20 °C / Inert atmosphere 2: pyridinium chlorochromate / dichloromethane / 4 h / 20 °C / Inert atmosphere 3: triphenylphosphine / water; N,N-dimethyl-formamide; methanol / 0.5 h / 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 20 °C 2: pyridinium chlorochromate / dichloromethane / 5 h / 20 °C 3: tris-(2-carboxyethyl)-phosphine hydrochloride / dimethyl sulfoxide View Scheme
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C 2: pyridinium chlorochromate / dichloromethane / 20 °C 3: triphenylphosphine / methanol; N,N-dimethyl-formamide; water / 1 h / 0 - 20 °C View Scheme

: 35190-71-7
1,2-bis(2-(hydroxymethyl)phenyl)disulfane

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 16 percent / PCC 2: 80 percent / Ph3P / dimethylformamide; H2O; methanol / 1.) room temp., 30 min; 2.) ice-water bath, 30 min View Scheme
With triphenylphosphine In methanol; water; N,N-dimethyl-formamide for 1h;

: 529-23-7
2-aminobenzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1) sodium nitrite / 1) sulphuric acid, water, 0 deg C, 2) water, room temp., 1 h, 60 deg C, 30 min 2: 70 percent / sodium hydroxide / 0.08 h View Scheme
Multi-step reaction with 2 steps 1: Diazotization.durch Umsetzung mit CuCNS 2: sodium sulfide; water / das Natriumsalz entsteht View Scheme

: N-(2-nitro-benzyl)-sulfanilic acid

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 2: Diazotization.durch Umsetzung mit CuCNS 3: sodium sulfide; water / das Natriumsalz entsteht View Scheme

: 446-52-6
2-Fluorobenzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With sodium sulfide

: 89-98-5
2-chloro-benzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
With sodium sulfide nonahydrate In N,N-dimethyl acetamide at 80℃; for 0.5h; Inert atmosphere;
Multi-step reaction with 3 steps 1.1: potassium hydroxide / dimethyl sulfoxide / 0.33 h / 20 °C / Inert atmosphere 1.2: 1.5 h / 110 °C / Inert atmosphere 2.1: acetic acid; hydrogen bromide; dimethyl sulfoxide / water / 20 °C / Cooling with ice 3.1: triphenylphosphine / tetrahydrofuran / 0.33 h / 20 °C / Inert atmosphere 3.2: 0.17 h / Inert atmosphere View Scheme

: 90-02-8
salicylaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: potassium carbonate / acetonitrile / 0.17 h / 20 °C / Inert atmosphere 1.2: 24 h / 80 °C / Inert atmosphere 2.1: 1-methyl-pyrrolidin-2-one / 15 h / 230 °C / Microwave irradiation View Scheme

: 6630-33-7
ortho-bromobenzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: toluene-4-sulfonic acid / toluene / Dean-Stark 2.1: magnesium / tetrahydrofuran / 1 h / 0 °C / Reflux 2.2: 20 °C 2.3: 2 h / Reflux View Scheme

: 65924-65-4
2-(tert-butylthio)benzaldehyde

: 29199-11-9
2-formylthiophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: acetic acid; hydrogen bromide; dimethyl sulfoxide / water / 20 °C / Cooling with ice 2.1: triphenylphosphine / tetrahydrofuran / 0.33 h / 20 °C / Inert atmosphere 2.2: 0.17 h / Inert atmosphere View Scheme

: 55164-16-4
2,2'-dithiodibenzaldehyde

: 107-13-1
acrylonitrile

A: 29199-11-9
2-formylthiophenol

B: 4-hydroxythiochromane-3-carbonitrile

Conditions

Conditions	Yield
Stage #1: 2,2'-dithiodibenzaldehyde With triphenylphosphine In tetrahydrofuran at 20℃; for 0.333333h; Inert atmosphere; Stage #2: acrylonitrile In tetrahydrofuran for 0.166667h; Inert atmosphere;

...Expand

: 29199-11-9
2-formylthiophenol

: 55164-16-4
2,2'-dithiodibenzaldehyde

Conditions

Conditions	Yield
With triethylamine; phenylacetylene; copper(l) iodide In acetonitrile at 20℃; for 8h;	100%
With oxygen; SiO2-Cl In dichloromethane at 0℃; for 0.166667h;	98%
MoO2Cl2(DMSO)2 In dimethyl sulfoxide at 20℃; for 0.5h;	91%

: 5153-67-3
nitrostyrene

: 29199-11-9
2-formylthiophenol

: 1574615-20-5
(2R,3R,4S)-3-nitro-2-phenylthiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Solvent; Temperature; Reagent/catalyst; Inert atmosphere; enantioselective reaction;	99%
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel diacetate In toluene at -40℃; for 15h;	99%

: 706-07-0
1-chloro-4-(2-nitrovinyl)benzene

: 29199-11-9
2-formylthiophenol

: 1574615-21-6
(2R,3R,4S)-2-(4-chlorophenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 37888-03-2, 3156-35-2
3-chloroβ-nitrostyrene

: 29199-11-9
2-formylthiophenol

: 1574615-26-1
(2R,3R,4S)-2-(3-chlorophenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 3156-37-4
4-bromo-β-nitrostyrene

: 29199-11-9
2-formylthiophenol

: 1574615-27-2
(2R,3R,4S)-2-(4-bromophenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 115665-95-7, 15795-14-9
3-bromo-β-nitro-styrene

: 29199-11-9
2-formylthiophenol

: 1574615-29-4
(2R,3R,4S)-2-(3-bromophenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 5153-69-5, 706-08-1
4-fluoro-β-nitrostyrene

: 29199-11-9
2-formylthiophenol

: 1574615-35-2
(2R,3R,4S)-2-(4-fluorophenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 882-26-8
3-nitro-β-nitrostyrene

: 29199-11-9
2-formylthiophenol

: 1574615-40-9
(2S,3R,4R)-3-nitro-2-(3-nitrophenyl)thiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 3179-09-7
1-methoxy-3-(2-nitrovinyl)benzene

: 29199-11-9
2-formylthiophenol

: 1574615-46-5
(2R,3R,4S)-2-(3-methoxyphenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 22568-43-0, 62248-93-5
1-methyl-3-(2-nitrovinyl)benzene

: 29199-11-9
2-formylthiophenol

: 1574615-52-3
(2S,3R,4R)-3-nitro-2-(m-tolyl)thiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 34312-77-1
1-(2-thienyl)-2-nitroethene

: 29199-11-9
2-formylthiophenol

: 1574615-57-8
(2R,3R,4R)-3-nitro-2-(thiophen-2-yl)thiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel(II) acetate tetrahydrate In toluene at -40 - 20℃; for 15h; Inert atmosphere; enantioselective reaction;	99%

: 391614-10-1
3-(2-bromobenzylidene)oxindole

: 29199-11-9
2-formylthiophenol

: 2'-(2”-bromophenyl)-4'-hydroxyspiro[indoline-3,3'-thiochroman]-2-one

Conditions

Conditions	Yield
With 2C2H3O2(1-)Ni(2+)C49H45N5 In toluene at -40 - 20℃; for 30h; stereoselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: 387343-81-9
3-benzylidene-6-chloroindol-2-one

: 6-chloro-4'-hydroxy-2'-phenylspiro[indoline-3,3'-thiochroman]-2-one

Conditions

Conditions	Yield
With 2C2H3O2(1-)Ni(2+)C49H45N5 In toluene at -40 - 20℃; for 30h; stereoselective reaction;	99%

: 3179-10-0, 5576-97-6
(E)-1-methoxy-4-(2-nitrovinyl)benzene

: 29199-11-9
2-formylthiophenol

A: 2-(4-methoxyphenyl)-3-nitro-thiochroman-4-ol

B: 1574615-43-2
(2R,3R,4S)-2-(4-methoxyphenyl)-3-nitrothiochroman-4-ol

Conditions

Conditions	Yield
With 2-{[(1S)-N-{[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl}-1-phenylethanamino]methyl}-4,6-dibromophenol; nickel diacetate In toluene at -40℃; for 15h;	A n/a B 99%

...Expand

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-phenylprop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-phenylthiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; Solvent; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-2-(4-fluorophenyl)-4-hydroxythiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-3-(4-bromophenyl)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)prop-2-en-1-one

: ((2R,3S,4R)-2-(4-bromophenyl)-4-hydroxythiochroman-3-yl)(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-2-(2-fluorophenyl)-4-hydroxythiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-3-(2-chlorophenyl)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)prop-2-en-1-one

: ((2R,3S,4R)-2-(2-chlorophenyl)-4-hydroxythiochroman-3-yl)(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-3-(2-bromophenyl)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)prop-2-en-1-one

: ((2R,3S,4R)-2-(2-bromophenyl)-4-hydroxythiochroman-3-yl)(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-3-(3-bromophenyl)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)prop-2-en-1-one

: ((2R,3S,4R)-2-(3-bromophenyl)-4-hydroxythiochroman-3-yl)(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(2-(trifluoromethyl)phenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-(2-(trifluoromethyl)phenyl)thiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-2-(3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-oxoprop-1-en-1-yl) Benzonitrile

: 2-((2R,3S,4R)-3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carbonyl)-4-hydroxythiochroman-2-yl)benzonitrile

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-4-(3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-oxoprop-1-en-1-yl)benzonitrile

: 4-((2R,3S,4R)-3-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carbonyl)-4-hydroxythiochroman-2-yl)benzonitrile

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-(4-nitrophenyl)thiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-(2-methoxyphenyl)thiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-(3-methoxyphenyl)thiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

: 29199-11-9
2-formylthiophenol

: (E)-1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)-3-(naphthalen-1-yl)prop-2-en-1-one

: (2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-yl)((2R,3S,4R)-4-hydroxy-2-(naphthalen-1-yl)thiochroman-3-yl)methanone

Conditions

Conditions	Yield
With C31H26F6N4O2 In dichloromethane at 0℃; enantioselective reaction;	99%

2-Mercaptobenzaldehyde Specification

2-Mercaptobenzaldehyde, with the CAS NO.29199-11-9, also called 2-Formylthiophenol; 2-Mercaptobenzaldehyde; 2-MERCPATOBENZLADEHYDE; Benzaldehyde, 2-Mercapto-.

Physical properties about 2-Mercaptobenzaldehyde are: (1)ACD/LogP: 1.602; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 0.10; (4)ACD/BCF (pH 5.5): 6.96 ; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 126.86; (7)ACD/KOC (pH 7.4): 5.56; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.644; (11)Molar Refractivity: 41.181 cm³; (12)Molar Volume: 113.71 cm³; (13)Polarizability: 16.325 10-24cm³; (14)Surface Tension: 48.9900016784668 dyne/cm; (15)Density: 1.215 g/cm³; (16)Flash Point: 104.098 °C; (17)Enthalpy of Vaporization: 48.571 kJ/mol; (18)Boiling Point: 248.515 °C at 760 mmHg; (19)Vapour Pressure: 0.0240000002086163 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:O=Cc1ccccc1S;
(2)Std. InChI:InChI=1S/C7H6OS/c8-5-6-3-1-2-4-7(6)9/h1-5,9H;
(3)Std. InChIKey:KSDMMCFWQWBVBW-UHFFFAOYSA-N

Product Name

2-Mercaptobenzaldehyde

Synthetic route

2-Mercaptobenzaldehyde Specification

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